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Home > Aldehydes > 1197193-37-5
1197193-37-5 | Benzaldehyde, 2-(4-methyl-1-piperazinyl)-4-(methylsulfonyl)-
CAS No: 1197193-37-5 Catalog No: AG000PJW MDL No:MFCD13191599
Product Description
Catalog Number:
AG000PJW
Chemical Name:
Benzaldehyde, 2-(4-methyl-1-piperazinyl)-4-(methylsulfonyl)-
CAS Number:
1197193-37-5
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
MDL Number:
MFCD13191599
IUPAC Name:
2-(4-methylpiperazin-1-yl)-4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C13H18N2O3S/c1-14-5-7-15(8-6-14)13-9-12(19(2,17)18)4-3-11(13)10-16/h3-4,9-10H,5-8H2,1-2H3
InChI Key:
FDYJNLLUGIQENA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1N1CCN(CC1)C)S(=O)(=O)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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